pCF3-C6H4CH2O anion


Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C8H6F3O- + Hydrogen cation = 4-(Trifluoromethyl)benzyl alcohol

By formula: C8H6F3O- + H+ = C8H7F3O

Quantity Value Units Method Reference Comment
Δr361.3 ± 2.1kcal/molG+TSMustanir, Than, et al., 2005gas phase
Quantity Value Units Method Reference Comment
Δr354.7 ± 2.0kcal/molIMREMustanir, Than, et al., 2005gas phase

C8H6F3O- = C9H10F3O2-

By formula: C8H6F3O- = C9H10F3O2-

Quantity Value Units Method Reference Comment
Δr6.60kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
2.44 ± 0.13D-EAMustanir, Than, et al., 2005 

Protonation reactions

C8H6F3O- + Hydrogen cation = 4-(Trifluoromethyl)benzyl alcohol

By formula: C8H6F3O- + H+ = C8H7F3O

Quantity Value Units Method Reference Comment
Δr361.3 ± 2.1kcal/molG+TSMustanir, Than, et al., 2005gas phase
Quantity Value Units Method Reference Comment
Δr354.7 ± 2.0kcal/molIMREMustanir, Than, et al., 2005gas phase

Ion clustering data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C8H6F3O- = C9H10F3O2-

By formula: C8H6F3O- = C9H10F3O2-

Quantity Value Units Method Reference Comment
Δr6.60kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Mustanir, Than, et al., 2005
Mustanir; Than, S.; Mishima, M., Substituent effects on the gas phase acidity of phenylacetylenes and benzyl alcohols, Bull. Chem. Soc. Japan, 2005, 78, 1, 147-153, https://doi.org/10.1246/bcsj.78.147 . [all data]

Mustanir, Matsuoka, et al., 2006
Mustanir; Matsuoka, M.; Mishima, M.; Koch, H., Stability of complexes of phenylacetylides and benzyl alkoxides with methanol in the gas phase. Acid-base correlation in the ionic hydrogen-bond strength, Bull. Chem. Soc. Japan, 2006, 79, 7, 1118-1125, https://doi.org/10.1246/bcsj.79.1118 . [all data]


Notes

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